Vitas-M small molecule compound
N-(4-tert-butylbenzyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK909362
SMILES CSc1ncc(c(n1)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)(C)C)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H26ClN3O3S2 MW 468.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClN3O3S2/c1-21(2,3)15-7-5-14(6-8-15)12-25(16-9-10-30(27,28)13-16)19(26)18-17(22)11-23-20(24-18)29-4/h5-8,11,16H,9-10,12-13H2,1-4H3InChIKey
HRPLQWMNSNTTEY-UHFFFAOYSA-NSynonyms
881217-81-8881217818
CC(C)(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)SC
InChI=1SC21H26ClN3O3S2c121(23)157514(6815)1225(1691030(2728)1316)19(26)1817(22)112320(2418)294h581116H9101213H214H3
MFCD06651424
N((4tertbutylphenyl)methyl)5chloroN(11dioxothiolan3yl)2methylsulfanylpyrimidine4carboxamide
N(4tertbutylbenzyl)5chloroN(11dioxidotetrahydrothiophen3yl)2(methylsulfanyl)pyrimidine4carboxamide
ZINC000009431816
ZINC000009431817
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